| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
GABAB receptor[1]
(E)-GABAB receptor antagonist 1 targets GABAB receptors as a negative allosteric modulator. It reduces agonist GABA-induced IP3 production in cells overexpressing GABAB receptors without affecting the EC50, consistent with negative allosteric modulation. |
|---|---|
| ln Vitro |
In HEK293 cells overexpressing GABAB receptors and Gqi9 proteins, (E)-GABAB receptor antagonist 1 (compound 14) reduces the agonist GABA-induced maximum effect of IP3 synthesis without altering the EC50[1].
In cell-free systems, (E)-GABAB receptor antagonist 1 acts as a negative allosteric modulator of GABAB receptors. It reduces GABA-induced IP3 production with an IC50 of 37.9 μM. The compound decreases the maximal effect of GABA without changing its EC50, confirming its allosteric mechanism. Cellular assays using HEK293 cells overexpressing GABAB receptors and Gqi9 proteins demonstrate that (E)-GABAB receptor antagonist 1 reduces agonist GABA-induced IP3 production. The compound decreases the maximal IP3 response without affecting the EC50 of GABA. This profile is characteristic of negative allosteric modulation. |
| ln Vivo |
In vivo studies on (E)-GABAB receptor antagonist 1 are limited. As a negative allosteric modulator of GABAB receptors, it may have effects on neurological function. The compound is primarily characterized in vitro. Detailed animal studies would be required to assess in vivo activity.
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| Enzyme Assay |
Cellular assays for (E)-GABAB receptor antagonist 1 are conducted using HEK293 cells overexpressing GABAB receptors and Gqi9 proteins. Cells are treated with GABA and varying concentrations of the compound. IP3 production is measured as a readout of receptor activation. IC50 values are determined from concentration-response curves.
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| Cell Assay |
Cellular assays for (E)-GABAB receptor antagonist 1 are performed as described above. The compound's negative allosteric modulation is confirmed by its ability to reduce maximal IP3 production without affecting the GABA EC50. Concentration-response curves are generated to determine potency and efficacy.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (E)-GABAB receptor antagonist 1 have not been extensively reported. As a research compound, detailed PK parameters including oral bioavailability, half-life, and tissue distribution require further characterization.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for (E)-GABAB receptor antagonist 1 are limited. The compound is used in research settings at concentrations that modulate GABAB receptor function. Comprehensive toxicological studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
(E)-GABAB receptor antagonist 1 is a research tool for studying GABAB receptor pharmacology. Its negative allosteric modulator activity makes it valuable for understanding allosteric regulation of GABAB receptors. The compound is used to investigate the role of GABAB signaling in neurological disorders. It is not approved for clinical use.
|
| Molecular Formula |
C18H24O4
|
|---|---|
| Molecular Weight |
304.380765914917
|
| Exact Mass |
304.167
|
| CAS # |
1611483-29-4
|
| Related CAS # |
GABAB receptor antagonist 1;797-17-1
|
| PubChem CID |
86279004
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| Appearance |
Light yellow to yellow solid powder
|
| LogP |
4.7
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
22
|
| Complexity |
427
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OC1C(=CC(/C=C/C(C(=O)O)=O)=CC=1C(C)(C)C)C(C)(C)C
|
| InChi Key |
XIQDGAUDNMVMCD-BQYQJAHWSA-N
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| InChi Code |
InChI=1S/C18H24O4/c1-17(2,3)12-9-11(7-8-14(19)16(21)22)10-13(15(12)20)18(4,5)6/h7-10,20H,1-6H3,(H,21,22)/b8-7+
|
| Chemical Name |
(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (~328.5 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2854 mL | 16.4268 mL | 32.8537 mL | |
| 5 mM | 0.6571 mL | 3.2854 mL | 6.5707 mL | |
| 10 mM | 0.3285 mL | 1.6427 mL | 3.2854 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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